SCHEMBL4659809

SCHEMBL4659809

CC(=O)NC1C(C(=O)NC2CCCCC2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21.NC1C(C(=O)NC2CCCCC2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.57
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
EPHX2 P34913 2/20 0.45
LTA4H P09960 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HKDC1 Q2TB90 2/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NR2F2 P24468 1/20 0.40
RAD52 P43351 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3569503 0.96 PPARG (0.60) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3572485 0.93 PPARG (0.61) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4889178 0.86 PPARG (0.64) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3574590 0.78 PPARG (0.73) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3569658 0.77 PPARG (0.70) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3569656 0.77 PPARG (0.70) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13316081 0.77 PPARG (0.92) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4823811 0.75 PPARG (0.68) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13316096 0.72 PPARG (1.00) PPARGBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3569506 0.69 PPARG (0.48) PPARGEPHX2MEN1KMT2ACNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756036-A4 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-04-16 EP disclosed
EP-1756036-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-02-28 EP disclosed
WO-2005100297-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed